Structural, electronic, and optical properties of Cu2NiSnS4: a combined experimental and theoretical study toward photovoltaic applications

Rondiya, Sachin, Wadnerkar, Nitin, Jadhav, Yogesh, Jadkar, Sandesh, Haram, Santosh and Kabir, Mukul 2017. Structural, electronic, and optical properties of Cu2NiSnS4: a combined experimental and theoretical study toward photovoltaic applications. Chemistry of Materials 29 (7) , pp. 3133-3142. 10.1021/acs.chemmater.7b00149

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Abstract

Earth-abundant quaternary chalcogenides are promising candidate materials for thin-film solar cells. Here we have synthesized Cu2NiSnS4 nanocrystals and thin films in a novel zincblende type cubic phase using a facile hot-injection method. The structural, electronic, and optical properties are studied using various experimental techniques, and the results are further corroborated within first-principles density functional theory based calculations. The estimated direct band gap ∼ 1.57 eV and high optical absorption coefficient ∼ 106 cm–1 indicate potential application in a low-cost thin-film solar cell. Further, the alignments for both conduction and valence bands are directly measured through cyclic voltametry. The 1.47 eV electrochemical gap and very small conduction band offset of −0.12 eV measured at the CNTS/CdS heterojunction are encouraging factors for the device. These results enable us to model carrier transport across the heterostructure interface. Finally, we have fabricated a CNTS solar cell device for the first time, with high open circuit voltage and fill factor. The results presented here should attract further studies.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Publisher:	American Chemical Society
ISSN:	0897-4756
Last Modified:	26 Oct 2021 01:06
URI:	https://orca.cardiff.ac.uk/id/eprint/133275

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